%chk=000217654.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217654

0 1
O -4.256781 0.758599 -1.551244
N 2.755638 0.015814 0.589900
N 3.092362 1.068846 -0.357303
C 0.347805 -0.028856 -0.193120
C 0.781830 0.960896 -1.304062
C 1.311542 0.193404 1.003985
C 0.429343 -1.490671 -0.701001
C 2.278133 0.842691 -1.611307
C -1.103563 0.273617 0.190600
C -0.147874 -2.516706 0.283236
C 3.602488 0.149789 1.826532
C -2.058597 0.389872 -0.828208
C -1.516793 0.412228 1.528556
C 4.547373 0.981229 -0.728230
C 0.036228 -3.944759 -0.226119
C -3.391416 0.656590 -0.485774
C -2.851973 0.678203 1.842773
C -3.816460 0.808259 0.841074
H 0.550180 1.995491 -0.977685
H 0.202288 0.794573 -2.230746
H 1.124713 1.197088 1.444574
H 1.108882 -0.570025 1.786846
H 1.494025 -1.734795 -0.900890
H -0.092489 -1.575251 -1.672232
H 2.493206 -0.137686 -2.089074
H 2.570053 1.635219 -2.333974
H -1.224853 -2.316928 0.453026
H 0.342968 -2.406172 1.270729
H 4.621371 -0.200935 1.600304
H 3.206531 -0.515383 2.608611
H 3.663981 1.171036 2.231147
H -1.796144 0.273230 -1.877608
H -0.803538 0.308848 2.342020
H 5.152217 1.372404 0.104586
H 4.738678 1.636181 -1.591677
H 4.898397 -0.032533 -0.971845
H -0.463205 -4.096827 -1.189560
H 1.095762 -4.189872 -0.363015
H -0.381321 -4.672282 0.478406
H -3.148028 0.785222 2.886882
H -4.850672 1.016235 1.084977
H -5.182084 0.944818 -1.261590


%chk=000217654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217654

0 1
O -4.378338 0.463114 -1.547486
N 2.746377 -0.025766 0.625947
N 3.124242 1.096132 -0.336203
C 0.347473 -0.014088 -0.173911
C 0.805764 0.987213 -1.283172
C 1.320791 0.203750 1.015530
C 0.441564 -1.487734 -0.699710
C 2.311074 0.886437 -1.574209
C -1.111827 0.309437 0.215489
C -0.057212 -2.580263 0.273281
C 3.590146 0.072055 1.845349
C -2.113095 0.259252 -0.787411
C -1.506652 0.649390 1.537809
C 4.563288 0.982091 -0.691218
C 0.013947 -3.987590 -0.359406
C -3.459911 0.540396 -0.480852
C -2.858174 0.930514 1.838381
C -3.850027 0.880848 0.836529
H 0.575317 2.016723 -0.947789
H 0.244339 0.811413 -2.220255
H 1.198713 1.240907 1.410127
H 1.098358 -0.509189 1.829815
H 1.498768 -1.696060 -0.947471
H -0.138069 -1.562333 -1.642744
H 2.554901 -0.094909 -2.045619
H 2.599994 1.685164 -2.282398
H -1.098731 -2.364862 0.580791
H 0.556019 -2.569457 1.196184
H 4.632349 -0.208229 1.624210
H 3.201758 -0.651321 2.582633
H 3.575796 1.091842 2.297218
H -1.870567 -0.003408 -1.822078
H -0.769350 0.698804 2.343285
H 5.203380 1.260977 0.161021
H 4.763402 1.700196 -1.505231
H 4.841719 -0.041076 -1.037806
H -0.619970 -4.046188 -1.264546
H 1.049746 -4.237068 -0.658371
H -0.332081 -4.766008 0.345539
H -3.143441 1.190451 2.864086
H -4.898880 1.100583 1.074719
H -5.292696 0.678560 -1.237558


